SCHEMBL2285808

SCHEMBL2285808

O=[N+]([O-])c1c2ccccc2c([N+](=O)[O-])c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.70
S100A4 P26447 2/20 0.67
TSHR P16473 3/20 0.54
TDP1 Q9NUW8 3/20 0.52
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
CTSB P07858 1/20 0.46
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
XBP1 P17861 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29674860 1.00 CYP3A4 (0.70) CYP3A4S100A4TSHRTDP1ALDH1A1
SCHEMBL2829878 0.92 S100A4 (0.64) CYP3A4S100A4TSHRTDP1ALDH1A1
SCHEMBL8558422 0.88 CYP3A4 (0.57) CYP3A4S100A4TSHRTDP1ALDH1A1
SCHEMBL7915412 0.88 S100A4 (0.80) CYP3A4S100A4TSHRTDP1ALDH1A1
SCHEMBL19033408 0.88 CYP3A4 (0.57) CYP3A4S100A4TSHRTDP1ALDH1A1
SCHEMBL7905236 0.84 CYP3A4 (0.53) CYP3A4S100A4TSHRTDP1ALDH1A1
SCHEMBL57759 0.83 CYP3A4 (1.00) CYP3A4S100A4TSHRTDP1ALDH1A1
SCHEMBL29450703 0.83 CYP3A4 (1.00) CYP3A4S100A4TSHRTDP1ALDH1A1
SCHEMBL20291524 0.81 CYP3A4 (0.61) CYP3A4S100A4TSHRTDP1ALDH1A1
SCHEMBL16221778 0.81 S100A4 (0.59) CYP3A4S100A4TSHRTDP1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167481-B1 METHOD FOR PRODUCING PROPYLENE OXIDE SUMITOMO CHEMICAL CO (JP) 2011-10-12 EP claimed
US-20100197945-A1 METHOD FOR PRODUCING PROPYLENE OXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-05 US claimed
US-5811492-A HAVING EXCELLENT HEAT, FIRE, CHEMICAL AND IMPACT RESISTANCE, MECHANICAL STRENGTH, AND MOLDABILITY; CONTAINING AMINO GROUPS, HYDROGENATED BLOCK COPOLYMER AND A POLYAMIDE RESIN GENERAL ELECTRIC COMPANY (US) 1998-09-22 US claimed
US-20250019563-A1 COMPOSITION INCLUDING ADDITION CONDENSATION PRODUCT OF AROMATIC COMPOUND AND CARBONYL COMPOUND AND THIOL COMPOUND, METHOD FOR PRODUCING COMPOSITION, SCALE ADHESION PREVENTION AGENT, REACTION APPARATUS, POLYMER, AND METHOD FOR PRODUCING POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-01-16 US disclosed
US-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds CARNEGIE MELLON UNIVERSITY (US) 2023-10-03 US disclosed
US-20230037858-A1 COMPOSITION CONTAINING ADDITION CONDENSATION PRODUCT, METHOD FOR PRODUCING SAME, USE OF SAME, POLYMERIZATION VESSEL, AND METHOD FOR PRODUCING POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-02-09 US disclosed
EP-4015511-A1 OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS CARNEGIE MELLON UNIVERSITY (US) 2022-06-22 EP disclosed
US-11345651-B2 Addition condensation product, production method and use of same, polymerization vessel, and production method of polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-31 US disclosed
US-20210403611-A1 PRODUCTION METHOD OF ADDITION CONDENSATION PRODUCT SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-12-30 US disclosed
US-20210403405-A1 ADDITION CONDENSATION PRODUCT, PRODUCTION METHOD AND USE OF SAME, POLYMERIZATION VESSEL, AND PRODUCTION METHOD OF POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-12-30 US disclosed
EP-2167481-B1 METHOD FOR PRODUCING PROPYLENE OXIDE SUMITOMO CHEMICAL CO (JP) 2011-10-12 EP disclosed
EP-0100581-B1 PHOTOSENSITIVE MATERIAL FOR ELECTROPHOTOGRAPHY MITA INDUSTRIAL CO. LTD. (JP) 1987-08-26 EP disclosed
EP-0212329-A1 Process for the delignification of cellulosic materials INTEROX Société Anonyme (BE) 1987-03-04 EP disclosed
US-4574114-A Photosensitive composition for electrophotography having polyvinyl carbazole and silicone oil MITA INDUSTRIAL COMPANY, LTD. (JP) 1986-03-04 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
US-4521504-A DICHROMATIC IMAGES-CONDUCTIVE SUBSTRATE LAMINATED WITH PHOTOCONDUCTIVE RICOH COMPANY, LTD. (JP) 1985-06-04 US disclosed
US-4469769-A Photosensitive material for electrophotography contains halo-benzoquinone sensitizer MITA INDUSTRIAL CO. LTD. (JP) 1984-09-04 US disclosed
EP-0100581-A2 Photosensitive material for electrophotography MITA INDUSTRIAL CO. LTD. (JP) 1984-02-15 EP disclosed
US-4370398-A Electrostatic copying process RICOH COMPANY, LTD. (JP) 1983-01-25 US disclosed
US-4361638-A AMORPHOUS SILICON AND CARBON BASE MATERIAL DOPED WITH HYDROGEN AND FLUORINE FUJI PHOTO FILM CO., LTD. (JP) 1982-11-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds SOD1, ME3, ME2 CYP3A4 831/4885S100A4 803/4885TSHR 1480/4885
US-11345651-B2 Addition condensation product, production method and use of same, polymerization vessel, and production method of polymer MCCC2, PYCARD, PCCA CYP3A4 776/4885S100A4 879/4885TSHR 4872/4885
US-20210403405-A1 ADDITION CONDENSATION PRODUCT, PRODUCTION METHOD AND USE OF SAME, POLYMERIZATION VESSEL, AND PRODUCTION METHOD OF POLYMER MCCC2, PYCARD, PCCA CYP3A4 776/4885S100A4 879/4885TSHR 4872/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.